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MoleculeFormer是一个用于分子性质预测的GCN转换器架构

Mingyuan Qin1, Ziyan Sun2, Lei Feng3

  • 1Department of Dermatology, Huashan Hospital, Shanghai Institute of Dermatology, Fudan University, Shanghai, China.

Communications biology
|November 25, 2025
PubMed
概括

MoleculeFormer是一种新的AI模型,通过使用图形神经网络和变压器准确预测分子性质来增强药物发现. 这种方法改善了对疗效,毒性和ADME的预测,为复杂的分子任务提供了强大的解决方案.

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